1-(4-nitrophenyl)-2-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]diazane

Systemtic Name: 1-(4-nitrophenyl)-2-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]diazane Openeye Name: 1-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine CAS Name: 1-(4-nitrophenyl)-2-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]hydrazine IUPAC Name: 1-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine Traditional Name: 1-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine Formula: C21H22N8O4 MolecularWeight: 450.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NNC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NNC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N8O4/c30-28(31)18-8-6-17(7-9-18)24-25-20-19(29(32)33)21(23-15-22-20)27-12-10-26(11-13-27)14-16-4-2-1-3-5-16/h1-9,15,24H,10-14H2,(H,22,23,25)